MMsINC Database Search


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MMsINC code: MMs00174441

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cccc(NC(=O)c3ccccc3)c1C)cc(cc2C)C

InChI:

InChI=1/C23H20N2O2/c1-14-12-15(2)21-20(13-14)25-23(27-21)18-10-7-11-19(16(18)3)24-22(26)17-8-5-4-6-9-17/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.509 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.4654	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.0410506	Sterimol/B1: 2.45007	Sterimol/B2: 4.88313	Sterimol/B3: 5.49444
Sterimol/B4: 5.78867	Sterimol/L: 19.682

Surface and Volume Properties
Accessible surface: 638.043	Positive charged surface: 366.128	Negative charged surface: 271.915	Volume: 353.125
Hydrophobic surface: 574.286	Hydrophilic surface: 63.757

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.